Chemical Properties of L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, nonyl ester

L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, nonyl ester

InChI
InChI=1S/C22H31F4NO3/c1-4-5-6-7-8-9-10-14-30-21(29)19(15(2)3)27-20(28)16-12-11-13-17(18(16)23)22(24,25)26/h11-13,15,19H,4-10,14H2,1-3H3,(H,27,28)
InChI Key
GPIVSSUUPKVESG-UHFFFAOYSA-N
Formula
C22H31F4NO3
SMILES
CCCCCCCCCOC(=O)C(NC(=O)c1cccc(C(F)(F)F)c1F)C(C)C
Molecular Weight1
433.49
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Physical Properties

Property Value Unit Source
ΔfusH° 54.93 kJ/mol Joback Calculated Property
log10WS -6.62 Relay (1.0) Calculated Property
logPoct/wat 5.893 Crippen Calculated Property
McVol 323.150 ml/mol McGowan Calculated Property
Pc 1045.30 kPa Joback Calculated Property
Inp [2447.00; 2447.00]   Show Hide
Inp 2447.00 NIST
Inp 2447.00 NIST
Tboil 637.51 K Relay (1.0) Calculated Property
Tfus 360.54 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [484.18; 1094.57] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.66800e+00
Coefficient B2.07416e+00
Coefficient C-1.24922e-03
Coefficient D2.63960e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 484.18 J/mol×K 273.00 Calculated Property
Cp,gas 594.80 J/mol×K 353.78 Calculated Property
Cp,gas 692.77 J/mol×K 434.56 Calculated Property
Cp,gas 778.92 J/mol×K 515.33 Calculated Property
Cp,gas 854.10 J/mol×K 596.11 Calculated Property
Cp,gas 919.14 J/mol×K 676.89 Calculated Property
Cp,gas 974.87 J/mol×K 757.67 Calculated Property
Cp,gas 1022.13 J/mol×K 838.44 Calculated Property
Cp,gas 1061.75 J/mol×K 919.22 Calculated Property
Cp,gas 1094.57 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, tetradecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptadecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, hexadecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octadecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, pentadecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, hexyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, decyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, dodecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, isohexyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, propyl ester. L-Valine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, heptadecyl ester.

Find more compounds similar to L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, nonyl ester.

Sources

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